SCHEMBL316426

SCHEMBL316426

O[C@@H]1[C@@H](O)[C@@H](Oc2ccc(-c3ccoc3)nc2)SC[C@H]1O

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FYN P06241 7/20 0.34
ADORA3 P0DMS8 1/20 0.34
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
PTPN1 P18031 1/20 0.31
PTPN6 P29350 1/20 0.31
PTPN11 Q06124 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
CHRNA7 P36544 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL316425 1.00 FYN (0.34) FYNADORA3CYP11B1CYP11B2PTPN1
SCHEMBL314307 0.83 CHRNA7 (0.31) ADORA3CHRNA7
SCHEMBL314276 0.83 CYP11B1 (0.35) FYNADORA3CYP11B1CYP11B2CHRNA7
SCHEMBL314277 0.83 CYP11B1 (0.35) FYNADORA3CYP11B1CYP11B2CHRNA7
SCHEMBL314308 0.83 CHRNA7 (0.31) ADORA3CHRNA7
SCHEMBL2410073 0.82 PPARD (0.33) ADORA3PTPN1PTPN6PTPN11
SCHEMBL2410075 0.82 PPARD (0.33) ADORA3PTPN1PTPN6PTPN11
SCHEMBL2140810 0.82 CHRNA7 (0.47) CHRNA7
SCHEMBL2141549 0.82 RXFP1 (0.38) FYNADORA3CYP11B1CYP11B2PTPN1
SCHEMBL2140812 0.82 CHRNA7 (0.47) CHRNA7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093394-B2 Derivatives of 5-thioxylopyranose and use of same for treatment LABORATOIRES FOURNIER S.A. (FR) 2012-01-10 US disclosed
EP-2066683-B1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT FOURNIER LAB SA (FR) 2010-11-03 EP disclosed
US-20090182013-A1 Derivatives of 5-Thioxylopyranose and Use of Same for Treatment LABORATOIRES FOURNIER S.A. (FR) 2009-07-16 US disclosed
EP-2066683-A1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT LABORATOIRES FOURNIER SA (FR) 2009-06-10 EP disclosed
WO-2008037922-A1 DERIVATIVES OF 5-THIOXYLOPYRANOSE AND USE OF SAME FOR TREATMENT LABORATOIRES FOURNIER S.A. (FR) 2008-04-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090182013-A1 Derivatives of 5-Thioxylopyranose and Use of Same for Treatment TPMT, PNPO, PPOX FYN 425/4885ADORA3 2499/4885CYP11B1 295/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.